2-[4-(2-chloroethyl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-[4-(2-chloroethyl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one Openeye Name: 2-[4-(2-chloroethyl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-[4-(2-chloroethyl)-1-piperazinyl]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-[4-(2-chloroethyl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one Traditional Name: 2-[4-(2-chloroethyl)piperazino]cyclohepta-2,4,6-trien-1-one Formula: C13H17ClN2O MolecularWeight: 252.73988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCl)C2=CC=CC=CC2=O

Isomeric SMILES

C1CN(CCN1CCCl)C2=CC=CC=CC2=O

InChI

InChI=1S/C13H17ClN2O/c14-6-7-15-8-10-16(11-9-15)12-4-2-1-3-5-13(12)17/h1-5H,6-11H2